SCHEMBL9946040

SCHEMBL9946040

CB(O)c1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.56
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
LIPE Q05469 1/20 0.50
MRGPRX4 Q96LA9 7/20 0.47
HPGD P15428 4/20 0.45
TP53 P04637 2/20 0.45
XBP1 P17861 2/20 0.45
MEN1 O00255 1/20 0.45
MITF O75030 1/20 0.45
KMT2A Q03164 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
ACP1 P24666 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN13 Q12923 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8453 0.88 ENPP2 (0.66) ENPP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL29952431 0.88 ENPP2 (0.66) ENPP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL9945921 0.80 RORC (0.49) ENPP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL1532826 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL130824 0.76 MRGPRX4 (0.68) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12261269 0.76 ENPP2 (0.62) ENPP2NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL544428 0.76 LIPE (0.53) ENPP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL13753117 0.76 LIPE (0.61) ENPP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL10172543 0.76 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9945987 0.76 SMN1; SMN2 (0.51) ENPP2NPC1RAB9ASMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ENPP2 147/4885NPC1 1529/4885RAB9A 1191/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.